UCSF

ZINC96125900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2014 11 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 0.27 -3.71 2 3 0 55 154.144 2
Mid Mid (pH 6-8) 1.28 0.59 -45.19 3 3 1 57 155.152 2

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.